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Substance Name: 6,6'-Bi(7-allyl-3-oxo-4-estren-17-yl acetate)
RN: 119020-36-9
InChIKey: HNBIJMUYMMGCRY-ZBJJYREYSA-N

Note

  • Dimer connected by a single bond between C6 and C6'.

Molecular Weight

  • 710.9898
 
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Names and Synonyms

Name of Substance

  • 6,6'-Bi(7-allyl-3-oxo-4-estren-17-yl acetate)

Synonym

  • 6,6-Baoaa

Registry Numbers

CAS Registry Number

  • 119020-36-9

System Generated Number

  • 0119020369

Structure Descriptors

InChI

1S/C46H62O6/c1-7-9-33-41-31(19-21-45(5)37(41)15-17-39(45)51-25(3)47)29-13-11-27(49)23-35(29)43(33)44-34(10-8-2)42-32(30-14-12-28(50)24-36(30)44)20-22-46(6)38(42)16-18-40(46)52-26(4)48/h7-8,23-24,29-34,37-44H,1-2,9-22H2,3-6H3/t29?,30?,31?,32?,33-,34-,37?,38?,39-,40-,41?,42?,43+,44+,45-,46-/m0/s1

InChIKey

HNBIJMUYMMGCRY-ZBJJYREYSA-N

Smiles

CC(=O)O[C@H]1CCC2[C@@]1(CCC3C2[C@@H]([C@H](C4=CC(=O)CCC34)[C@@H]5[C@H](C6C(CC[C@]7(C6CC[C@@H]7OC(=O)C)C)C8C5=CC(=O)CC8)CC=C)CC=C)C